disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate

C9H14N2Na2O8 — CID 131731808

IUPACdisodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate
SMILESN[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C5H9NO4.C4H7NO4.2Na/c6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7;;/h3H,1-2,6H2,(H,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2/t3-;2-;;/m00../s1
InChIKeyZYWPXPKNTWCHFM-AKMQRXGGSA-L
MW324.20 g/mol
LogP-10.53
Rot. Bonds7

About disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate

disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate (PubChem CID 131731808) has the molecular formula C9H14N2Na2O8 and a molecular weight of 324.20 g/mol. Its IUPAC name is disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate.

Molecular Properties

Compound Namedisodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate
PubChem CID131731808
Molecular FormulaC9H14N2Na2O8
Molecular Weight324.20 g/mol
Exact Mass324.05
IUPAC Namedisodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate
SMILESN[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C5H9NO4.C4H7NO4.2Na/c6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7;;/h3H,1-2,6H2,(H,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2/t3-;2-;;/m00../s1
InChIKeyZYWPXPKNTWCHFM-AKMQRXGGSA-L
XLogP-10.53
TPSA206.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 5-10.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate with MolForge

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Related Compounds

tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);bis(chromium(3+))
CID 173192312
tris((2S)-2-amino-5-hydroxy-5-oxopentanoate);chromium(3+)
CID 173162315
beryllium;bis((2S)-2-amino-5-hydroxy-5-oxopentanoate);dihydrate
CID 173366777
tetrakis((2S)-2-aminobutanedioic acid);(2S)-2-aminopentanedioic acid
CID 160730192
(2S)-2-aminobutanedioic acid;bis((2S)-2-aminopentanedioic acid)
CID 87733347
magnesium;(2S)-2-aminopentanedioate;(2S)-2-aminopentanedioic acid;tetrahydrate
CID 163198340
tetrasodium;2-aminopentanedioate;oxalate
CID 175012253
tetrasodium;2-aminopentanedioate;diacetate
CID 18668480
sodium;acetic acid;(2S)-2-aminopentanedioic acid;acetate
CID 172856742
tris((2S)-2-amino-4-hydroxy-4-oxobutanoate);bis(chromium(3+));triisothiocyanate
CID 173435867
2-aminoacetic acid;2-aminobutanedioic acid;2-aminopentanedioic acid
CID 88786935
(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619

Frequently Asked Questions

What is the IUPAC name of disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate?
The IUPAC name of disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate (CID 131731808) is disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate.
What is the SMILES notation for disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate?
The canonical SMILES for disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate is N[C@@H](CC(=O)O)C(=O)[O-].N[C@@H](CCC(=O)O)C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate?
The InChIKey is ZYWPXPKNTWCHFM-AKMQRXGGSA-L. The full InChI is InChI=1S/C5H9NO4.C4H7NO4.2Na/c6-3(5(9)10)1-2-4(7)8;5-2(4(8)9)1-3(6)7;;/h3H,1-2,6H2,(H,7,8)(H,9,10);2H,1,5H2,(H,6,7)(H,8,9);;/q;;2*+1/p-2/t3-;2-;;/m00../s1.
What are the key properties of disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate?
disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate has a molecular weight of 324.20 g/mol, XLogP of -10.53, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2S)-2-amino-4-hydroxy-4-oxobutanoate;(2S)-2-amino-5-hydroxy-5-oxopentanoate is sourced from PubChem (CID 131731808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).